SCHEMBL9856280

SCHEMBL9856280

CCC(C)Sc1ccc(OC(C)CN)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
SLC7A5 Q01650 1/20 0.31
MAPT P10636 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9856588 0.83 PRKAB2 (0.34) MAPTMTNR1AMTNR1BCYP1A2GAA
SCHEMBL9856089 0.80 ACACB (0.40) SLC7A5MAPTMTNR1AMTNR1B
SCHEMBL10795235 0.79 HTT (0.33) SLC6A4MAPTCYP1A2GAACYP2D6
SCHEMBL9856170 0.77 CA12 (0.44) SLC6A4MAPTCYP1A2GAA
SCHEMBL9856269 0.77 TAAR1 (0.44) CYP1A2CYP2D6
SCHEMBL10394859 0.76 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL10791820 0.76
SCHEMBL10870164 0.74
SCHEMBL10870168 0.74
SCHEMBL10789684 0.72 LTA4H (0.44) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed